1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

C13H15F2N3O — CID 43435344

IUPAC1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccccc1OC(F)F
InChIInChI=1S/C13H15F2N3O/c1-9-11(8-17-18-9)7-16-6-10-4-2-3-5-12(10)19-13(14)15/h2-5,8,13,16H,6-7H2,1H3,(H,17,18)
InChIKeyNUWVFZCUHNNDJP-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.61
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine

1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 43435344) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID43435344
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccccc1OC(F)F
InChIInChI=1S/C13H15F2N3O/c1-9-11(8-17-18-9)7-16-6-10-4-2-3-5-12(10)19-13(14)15/h2-5,8,13,16H,6-7H2,1H3,(H,17,18)
InChIKeyNUWVFZCUHNNDJP-UHFFFAOYSA-N
XLogP2.61
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 43435344) is 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1[nH]ncc1CNCc1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is NUWVFZCUHNNDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-9-11(8-17-18-9)7-16-6-10-4-2-3-5-12(10)19-13(14)15/h2-5,8,13,16H,6-7H2,1H3,(H,17,18).
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 267.28 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 43435344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).